3-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-ethyl-imidazol-2-yl]sulfanylmethyl]-1,2,3-benzotriazin-4-one

Systemtic Name: 3-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-ethyl-imidazol-2-yl]sulfanylmethyl]-1,2,3-benzotriazin-4-one Openeye Name: 3-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-ethyl-imidazol-2-yl]sulfanylmethyl]-1,2,3-benzotriazin-4-one CAS Name: 3-[[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-ethyl-2-imidazolyl]thio]methyl]-1,2,3-benzotriazin-4-one IUPAC Name: 3-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-ethylimidazol-2-yl]sulfanylmethyl]-1,2,3-benzotriazin-4-one Traditional Name: 3-[[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-ethyl-imidazol-2-yl]thio]methyl]-1,2,3-benzotriazin-4-one Formula: C21H19N5O3S MolecularWeight: 421.47226

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=CN=C1SCN2C(=O)C3=CC=CC=C3N=N2)C4=CC5=C(C=C4)OCCO5

Isomeric SMILES

CCN1C(=CN=C1SCN2C(=O)C3=CC=CC=C3N=N2)C4=CC5=C(C=C4)OCCO5

InChI

InChI=1S/C21H19N5O3S/c1-2-25-17(14-7-8-18-19(11-14)29-10-9-28-18)12-22-21(25)30-13-26-20(27)15-5-3-4-6-16(15)23-24-26/h3-8,11-12H,2,9-10,13H2,1H3